1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride

C10H14ClN3 — CID 165495037

IUPAC1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride
SMILESCc1nc2c(C(C)N)cccc2[nH]1.Cl
InChIInChI=1S/C10H13N3.ClH/c1-6(11)8-4-3-5-9-10(8)13-7(2)12-9;/h3-6H,11H2,1-2H3,(H,12,13);1H
InChIKeyGYNNLCNWMUBSRF-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.31
Rot. Bonds1

About 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride

1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride (PubChem CID 165495037) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride
PubChem CID165495037
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride
SMILESCc1nc2c(C(C)N)cccc2[nH]1.Cl
InChIInChI=1S/C10H13N3.ClH/c1-6(11)8-4-3-5-9-10(8)13-7(2)12-9;/h3-6H,11H2,1-2H3,(H,12,13);1H
InChIKeyGYNNLCNWMUBSRF-UHFFFAOYSA-N
XLogP2.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
CID 142770245
2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine
CID 83881603
4-(disulfanyl)-2-methyl-1H-benzimidazole
CID 126612674
2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
CID 174200783
1-(1H-benzimidazol-4-yl)ethanamine
CID 82415420
2-methyl-1H-benzimidazole-4-carbaldehyde;dihydrochloride
CID 174788493
(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 83857640
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
2-methyl-4-piperazin-1-yl-1H-benzimidazole
CID 13180225
4-(2-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70913994
2,5-dimethyl-4-propan-2-yl-1H-benzimidazole
CID 164840033
2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde
CID 83874207

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride (CID 165495037) is 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride is Cc1nc2c(C(C)N)cccc2[nH]1.Cl.
What is the InChIKey of 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride?
The InChIKey is GYNNLCNWMUBSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.ClH/c1-6(11)8-4-3-5-9-10(8)13-7(2)12-9;/h3-6H,11H2,1-2H3,(H,12,13);1H.
What are the key properties of 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride?
1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride has a molecular weight of 211.70 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 165495037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).